ethyl 6-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-piperidin-4-yloxy-2,3-dihydroindol-1-yl]sulfonyl]hexanoate

Systemtic Name: ethyl 6-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-piperidin-4-yloxy-2,3-dihydroindol-1-yl]sulfonyl]hexanoate Openeye Name: ethyl 6-[2-(7-carbamimidoyl-2-naphthyl)-5-(4-piperidyloxy)indolin-1-yl]sulfonylhexanoate CAS Name: 6-[[2-(7-carbamimidoyl-2-naphthalenyl)-5-(4-piperidinyloxy)-2,3-dihydroindol-1-yl]sulfonyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-piperidin-4-yloxy-2,3-dihydroindol-1-yl]sulfonyl]hexanoate Traditional Name: 6-[2-(7-amidino-2-naphthyl)-5-(4-piperidyloxy)indolin-1-yl]sulfonylhexanoic acid ethyl ester Formula: C32H40N4O5S MolecularWeight: 592.7488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCNCC3)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

CCOC(=O)CCCCCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCNCC3)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C32H40N4O5S/c1-2-40-31(37)6-4-3-5-17-42(38,39)36-29-12-11-28(41-27-13-15-35-16-14-27)20-26(29)21-30(36)23-9-7-22-8-10-24(32(33)34)19-25(22)18-23/h7-12,18-20,27,30,35H,2-6,13-17,21H2,1H3,(H3,33,34)